Molecule

ID:28850

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClN
Molecular Mass
267.75276
Exact Mass
267.08147713
Charge
0
InChI
InChI=1S/C17H14ClN/c18-16-10-4-2-7-14(16)12-19-17-11-5-8-13-6-1-3-9-15(13)17/h1-11,19H,12H2
InChIKey
NIYKCTBMCZDZSM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CNc1cccc2c1cccc2
Isomeric Smiles
N(c1c2c(ccc1)cccc2)Cc1c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
19.8943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.760657
LogD (pH = 7.4)
4.763976
Log P
4.7640185
Molar Refractivity
82.1194
Polarizability
32.357143
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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